SCHEMBL8556787

SCHEMBL8556787

CC(O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NR1H2 P55055 1/20 0.50
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ADORA1 P30542 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GRAMD1A Q96CP6 1/20 0.41
NAMPT P43490 1/20 0.39
PDK4 Q16654 1/20 0.37
MKNK1 Q9BUB5 5/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19531664 0.91 ESR2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL31486447 0.89 ESR2 (0.42) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL20645631 0.86 ESR2 (0.47) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL6421569 0.82 ESR2 (0.55) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL2921637 0.81 ESR2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL13981293 0.81 ESR2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL22369230 0.81 ESR2 (0.54) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL32660197 0.81 ESR2 (0.54) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL14876121 0.81 NR1H2 (0.60) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL1017283 0.81 ESR2 (0.54) ESR2NR1H2BRD4CREBBPADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed